8640-0512 Screening compound: 3,3,8-trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridin-5-yl cyanide

8640-0512 Screening compound: 3,3,8-trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridin-5-yl cyanide
8640-0512 Screening compound: 3,3,8-trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridin-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0512
3,3,8-trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridin-5-yl cyanide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8640-0512

Molecular Formula

C12H14N2O2 (C12 H14 N2 O2)

Compound Name

3,3,8-trimethyl-6-oxo-3,4,6,7-tetrahydro-1H-pyrano[3,4-c]pyridin-5-yl cyanide

IUPAC name

338-trimethyl-6-oxo-1H3H4H6H7H-pyrano[34-c]pyridine-5-carbonitrile

SMILES

CC(C)(CC1=C2C#N)OCC1=C(C)NC2=O

InChI

InChI=1S/C12H14N2O2/c1-7-10-6-16-12(2,3)4-8(10)9(5-13)11(15)14-7/h4,6H2,1-3H3,(H,14,15)

InChI Key

WQRQZMQBLXFWRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00484218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.342

Distribution Coefficient, logD

0.091

Water Solubility, LogSw

-1.74

Polar Surface Area

49.441

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8640-0512 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Fragments
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8640-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0512?
Check Price and Availability of 8640-0512, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8640-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0512
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8640-0512 available by request